N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide

C13H15N3O2 — CID 91246967

IUPACN-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCNC(=O)COc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C13H15N3O2/c1-14-13(17)9-18-12-5-3-4-10(6-12)11-7-15-16(2)8-11/h3-8H,9H2,1-2H3,(H,14,17)
InChIKeyRSUSLQVIGZSYBB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.21
Rot. Bonds4

About N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide

N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide (PubChem CID 91246967) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
PubChem CID91246967
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
SMILESCNC(=O)COc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C13H15N3O2/c1-14-13(17)9-18-12-5-3-4-10(6-12)11-7-15-16(2)8-11/h3-8H,9H2,1-2H3,(H,14,17)
InChIKeyRSUSLQVIGZSYBB-UHFFFAOYSA-N
XLogP1.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The IUPAC name of N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide (CID 91246967) is N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide is CNC(=O)COc1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide?
The InChIKey is RSUSLQVIGZSYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-14-13(17)9-18-12-5-3-4-10(6-12)11-7-15-16(2)8-11/h3-8H,9H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide?
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide is sourced from PubChem (CID 91246967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).